2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane

C13H19O5P — CID 2773704

IUPAC2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane
SMILESCCOP(=O)(OCC)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C13H19O5P/c1-3-17-19(14,18-4-2)12-7-5-11(6-8-12)13-15-9-10-16-13/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyCINQUYDQNZUQMK-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.62
Rot. Bonds6

About 2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane

2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane (PubChem CID 2773704) has the molecular formula C13H19O5P and a molecular weight of 286.26 g/mol. Its IUPAC name is 2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane
PubChem CID2773704
Molecular FormulaC13H19O5P
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane
SMILESCCOP(=O)(OCC)c1ccc(C2OCCO2)cc1
InChIInChI=1S/C13H19O5P/c1-3-17-19(14,18-4-2)12-7-5-11(6-8-12)13-15-9-10-16-13/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyCINQUYDQNZUQMK-UHFFFAOYSA-N
XLogP2.62
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Benzaldehyde propylene glycol acetal
CID 595928
(Diethoxymethyl)benzene
CID 69884
1-Benzyloxy-1-(2-methoxyethoxy)ethane
CID 22235151
1,3-Dioxolane, 2-methyl-4-phenyl-
CID 118119
4-Methylbenzaldehyde propyleneglycol acetal
CID 94001
2-Phenyl-1,3-dioxolane
CID 70293
2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
1,3-Dioxolane, 4,5-dimethyl-2-phenyl-
CID 221639
((2,2-Dimethoxyethoxy)methyl)benzene
CID 7021458
2-(2-Dicyclohexylphosphinophenyl)-1,3-dioxolane
CID 10665273
[(E)-3-methyl-6-phenylmethoxyhex-2-enyl] phosphono hydrogen phosphate
CID 5473029
2,2-Dimethyl-4-((phenylmethoxy)methyl)-1,3-dioxolane
CID 85795

Frequently Asked Questions

What is the IUPAC name of 2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane?
The IUPAC name of 2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane (CID 2773704) is 2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane is CCOP(=O)(OCC)c1ccc(C2OCCO2)cc1.
What is the InChIKey of 2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane?
The InChIKey is CINQUYDQNZUQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19O5P/c1-3-17-19(14,18-4-2)12-7-5-11(6-8-12)13-15-9-10-16-13/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of 2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane?
2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane has a molecular weight of 286.26 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-diethoxyphosphorylphenyl)-1,3-dioxolane is sourced from PubChem (CID 2773704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).